1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2,4-dioxo-3-[(oxolan-2-yl)methyl]-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2,4-dioxo-3-[(oxolan-2-yl)methyl]-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2,4-dioxo-3-[(oxolan-2-yl)methyl]-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C260-3439 |
| Compound Name: | 1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2,4-dioxo-3-[(oxolan-2-yl)methyl]-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 575.06 |
| Molecular Formula: | C31 H31 Cl N4 O5 |
| Smiles: | Cc1ccc(cc1NC(CN1C(N(CC2CCCO2)C(c2ccc(cc12)C(NCCc1ccccc1)=O)=O)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4926 |
| logD: | 3.4923 |
| logSw: | -4.0661 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.628 |
| InChI Key: | OQBQDVQFVCYKSF-XMMPIXPASA-N |